#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:26:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180339 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/08/7200882.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7200882
loop_
_publ_author_name
'Cai, Yue-Peng'
'Yu, Qiong-Yan'
'Zhou, Zheng-Yuan'
'Hu, Zuo-Jun'
'Fang, Hua-Cai'
'Wang, Ning'
'Zhan, Qing-Guang'
'Chen, Li'
'Su, Cheng-Yong'
_publ_section_title
;
 Metal-directed assembly of two 2-D 4d--4f coordination polymers based
 on elliptical triple-deck cylinders hinged by meso-double helical
 chains
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1006
_journal_paper_doi               10.1039/b823457d
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C48 H52 Ag4 N8 O26 Sm2, 2(N O3), 4(H2 O)'
_chemical_formula_sum            'C48 H60 Ag4 N10 O36 Sm2'
_chemical_formula_weight         2085.24
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.189(13)
_cell_angle_beta                 92.502(15)
_cell_angle_gamma                100.548(12)
_cell_formula_units_Z            1
_cell_length_a                   7.5461(15)
_cell_length_b                   13.0618(8)
_cell_length_c                   17.320(5)
_cell_measurement_reflns_used    3216
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.67
_cell_measurement_theta_min      2.31
_cell_volume                     1661.2(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detectorr'
_diffrn_measurement_method       'phi and omga scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0575
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9369
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    2.998
_exptl_absorpt_correction_T_max  0.6011
_exptl_absorpt_correction_T_min  0.5117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1018
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.367
_refine_diff_density_min         -1.854
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         7628
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0584P)²+4.4590P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1252
_reflns_number_gt                5754
_reflns_number_total             7628
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b823457d.txt
_cod_data_source_block           compound_3a
_cod_original_cell_volume        1661.5(6)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7200882
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.87367(4) 0.79572(2) 0.480077(16) 0.02531(10) Uani 1 1 d . . .
Ag1 Ag 1.20792(9) 0.50579(6) 0.03712(3) 0.06001(19) Uani 1 1 d . . .
Ag2 Ag 1.22846(10) 1.06011(6) 0.02494(3) 0.06035(19) Uani 1 1 d . . .
C1 C 0.9212(9) 0.5502(5) 0.3817(3) 0.0330(13) Uani 1 1 d . . .
C2 C 0.9989(9) 0.5396(4) 0.3029(3) 0.0302(12) Uani 1 1 d . . .
C3 C 1.0731(11) 0.6272(5) 0.2692(4) 0.0433(16) Uani 1 1 d . . .
H3 H 1.0822 0.6944 0.2961 0.052 Uiso 1 1 calc R . .
C4 C 1.1328(11) 0.6130(6) 0.1955(4) 0.0477(17) Uani 1 1 d . . .
H4 H 1.1829 0.6723 0.1736 0.057 Uiso 1 1 calc R . .
C5 C 1.0537(10) 0.4349(5) 0.1872(4) 0.0429(16) Uani 1 1 d . . .
H5 H 1.0468 0.3684 0.1595 0.051 Uiso 1 1 calc R . .
C6 C 0.9923(9) 0.4418(5) 0.2608(3) 0.0349(14) Uani 1 1 d . . .
H6 H 0.9466 0.3813 0.2821 0.042 Uiso 1 1 calc R . .
C7 C 1.5442(9) 0.5522(5) -0.2966(3) 0.0344(13) Uani 1 1 d . . .
C8 C 1.4674(8) 0.5421(5) -0.2170(4) 0.0341(13) Uani 1 1 d . . .
C9 C 1.4620(11) 0.6295(6) -0.1638(4) 0.0512(19) Uani 1 1 d . . .
H9 H 1.5050 0.6966 -0.1758 0.061 Uiso 1 1 calc R . .
C10 C 1.3930(12) 0.6162(7) -0.0933(4) 0.057(2) Uani 1 1 d . . .
H10 H 1.3922 0.6760 -0.0580 0.068 Uiso 1 1 calc R . .
C11 C 1.3249(11) 0.4386(6) -0.1246(4) 0.0503(18) Uani 1 1 d . . .
H11 H 1.2743 0.3727 -0.1123 0.060 Uiso 1 1 calc R . .
C12 C 1.3947(11) 0.4449(6) -0.1963(4) 0.0455(17) Uani 1 1 d . . .
H12 H 1.3931 0.3840 -0.2307 0.055 Uiso 1 1 calc R . .
C13 C 0.9842(8) 0.9956(4) 0.3687(3) 0.0247(11) Uani 1 1 d . . .
C14 C 1.0376(8) 1.0126(4) 0.2876(3) 0.0281(12) Uani 1 1 d . . .
C15 C 1.0917(10) 1.1130(5) 0.2677(4) 0.0390(15) Uani 1 1 d . . .
H15 H 1.0922 1.1721 0.3038 0.047 Uiso 1 1 calc R . .
C16 C 1.1443(11) 1.1231(5) 0.1936(4) 0.0454(17) Uani 1 1 d . . .
H16 H 1.1812 1.1903 0.1806 0.054 Uiso 1 1 calc R . .
C17 C 1.0920(11) 0.9452(6) 0.1587(4) 0.0477(18) Uani 1 1 d . . .
H17 H 1.0904 0.8873 0.1213 0.057 Uiso 1 1 calc R . .
C18 C 1.0392(10) 0.9277(5) 0.2315(3) 0.0379(15) Uani 1 1 d . . .
H18 H 1.0049 0.8594 0.2429 0.046 Uiso 1 1 calc R . .
C19 C 1.5440(9) 1.0548(5) -0.3157(3) 0.0352(14) Uani 1 1 d . . .
C20 C 1.4739(9) 1.0556(5) -0.2340(3) 0.0343(13) Uani 1 1 d . . .
C21 C 1.4726(12) 1.1493(5) -0.1881(4) 0.0494(19) Uani 1 1 d . . .
H21 H 1.5143 1.2127 -0.2064 0.059 Uiso 1 1 calc R . .
C22 C 1.4088(13) 1.1486(6) -0.1144(4) 0.059(2) Uani 1 1 d . . .
H22 H 1.4091 1.2127 -0.0841 0.071 Uiso 1 1 calc R . .
C23 C 1.3462(12) 0.9712(6) -0.1298(4) 0.052(2) Uani 1 1 d . . .
H23 H 1.3022 0.9089 -0.1104 0.062 Uiso 1 1 calc R . .
C24 C 1.4070(11) 0.9651(5) -0.2038(4) 0.0465(18) Uani 1 1 d . . .
H24 H 1.4027 0.9000 -0.2332 0.056 Uiso 1 1 calc R . .
N1 N 1.1226(8) 0.5181(5) 0.1535(3) 0.0433(13) Uani 1 1 d . . .
N2 N 1.3264(9) 0.5226(5) -0.0720(3) 0.0486(15) Uani 1 1 d . . .
N3 N 1.1451(9) 1.0404(5) 0.1390(3) 0.0449(14) Uani 1 1 d . . .
N4 N 1.3472(9) 1.0611(5) -0.0849(3) 0.0483(15) Uani 1 1 d . . .
N5 N 1.0126(13) 0.2530(5) 0.0075(4) 0.0578(19) Uani 1 1 d . . .
O1 O 0.8972(7) 0.6406(3) 0.4071(3) 0.0454(12) Uani 1 1 d . . .
O2 O 0.8871(9) 0.4733(4) 0.4152(3) 0.0579(16) Uani 1 1 d . . .
O3 O 1.5494(8) 0.4693(4) -0.3387(3) 0.0493(13) Uani 1 1 d . . .
O4 O 1.5959(8) 0.6430(4) -0.3106(3) 0.0478(12) Uani 1 1 d . . .
O5 O 0.9408(7) 0.9029(3) 0.3811(2) 0.0378(10) Uani 1 1 d . . .
O6 O 0.9847(7) 1.0748(3) 0.4169(2) 0.0405(11) Uani 1 1 d . . .
O7 O 1.5222(8) 0.9683(4) -0.3576(3) 0.0549(14) Uani 1 1 d . . .
O8 O 1.6201(7) 1.1409(4) -0.3325(3) 0.0413(11) Uani 1 1 d . . .
O9 O 0.9222(13) 0.1732(6) 0.0250(4) 0.099(3) Uani 1 1 d . . .
O10 O 0.9516(15) 0.3145(6) -0.0258(5) 0.116(3) Uani 1 1 d . . .
O11 O 1.1801(12) 0.2734(6) 0.0259(5) 0.091(2) Uani 1 1 d . . .
O12 O 1.2011(7) 0.8098(4) 0.4608(3) 0.0451(12) Uani 1 1 d D . .
H12A H 1.244(11) 0.826(5) 0.419(3) 0.068 Uiso 1 1 d D . .
H12B H 1.230(12) 0.751(4) 0.470(4) 0.068 Uiso 1 1 d D . .
O13 O 0.6179(7) 0.7388(4) 0.3813(3) 0.0419(11) Uani 1 1 d D . .
H13A H 0.545(8) 0.778(4) 0.370(5) 0.063 Uiso 1 1 d D . .
H13B H 0.559(8) 0.675(2) 0.374(5) 0.063 Uiso 1 1 d D . .
O14 O 0.6746(7) 0.9280(4) 0.5013(3) 0.0426(11) Uani 1 1 d D . .
H14A H 0.697(11) 0.986(3) 0.484(4) 0.064 Uiso 1 1 d D . .
H14B H 0.614(10) 0.931(5) 0.541(3) 0.064 Uiso 1 1 d D . .
O15 O 0.6367(7) 0.7064(4) 0.5480(3) 0.0448(12) Uani 1 1 d D . .
H15A H 0.529(5) 0.685(6) 0.528(4) 0.067 Uiso 1 1 d D . .
H15B H 0.655(10) 0.670(6) 0.585(4) 0.067 Uiso 1 1 d D . .
O16 O 1.0033(7) 0.7094(3) 0.5793(3) 0.0383(10) Uani 1 1 d D . .
H16A H 1.111(5) 0.733(5) 0.600(5) 0.057 Uiso 1 1 d D . .
H16B H 0.990(9) 0.6419(17) 0.569(5) 0.057 Uiso 1 1 d D . .
O1W O 0.6767(8) 0.2290(4) 0.3403(4) 0.0543(13) Uani 1 1 d D . .
H1WA H 0.606(9) 0.271(5) 0.334(6) 0.081 Uiso 1 1 d D . .
H1WB H 0.621(9) 0.168(2) 0.339(6) 0.081 Uiso 1 1 d D . .
O2W O 0.3167(7) 0.6097(4) 0.4737(3) 0.0437(11) Uani 1 1 d D . .
H2WA H 0.342(11) 0.574(5) 0.432(3) 0.065 Uiso 1 1 d D . .
H2WB H 0.267(11) 0.567(4) 0.503(3) 0.065 Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sm1 O5 96.50(16) . . ?
O1 Sm1 O6 144.00(19) . 2_776 ?
O5 Sm1 O6 95.02(15) . 2_776 ?
O1 Sm1 O15 90.61(19) . . ?
O5 Sm1 O15 144.75(18) . . ?
O6 Sm1 O15 99.25(17) 2_776 . ?
O1 Sm1 O16 79.84(17) . . ?
O5 Sm1 O16 144.60(17) . . ?
O6 Sm1 O16 71.20(15) 2_776 . ?
O15 Sm1 O16 70.63(17) . . ?
O1 Sm1 O13 69.36(18) . . ?
O5 Sm1 O13 74.95(16) . . ?
O6 Sm1 O13 146.63(17) 2_776 . ?
O15 Sm1 O13 75.46(17) . . ?
O16 Sm1 O13 133.38(15) . . ?
O1 Sm1 O12 74.92(18) . . ?
O5 Sm1 O12 72.95(17) . . ?
O6 Sm1 O12 76.13(18) 2_776 . ?
O15 Sm1 O12 141.84(17) . . ?
O16 Sm1 O12 72.12(16) . . ?
O13 Sm1 O12 128.02(17) . . ?
O1 Sm1 O14 143.05(19) . . ?
O5 Sm1 O14 75.82(16) . . ?
O6 Sm1 O14 72.92(17) 2_776 . ?
O15 Sm1 O14 77.87(18) . . ?
O16 Sm1 O14 126.73(16) . . ?
O13 Sm1 O14 73.76(17) . . ?
O12 Sm1 O14 133.27(17) . . ?
N3 Ag2 N4 169.1(2) . . ?
N1 Ag1 N2 168.8(2) . . ?
N1 Ag1 Ag1 91.77(17) . 2_765 ?
N2 Ag1 Ag1 93.77(18) . 2_765 ?
N2 C10 C9 124.0(7) . . ?
N2 C10 H10 118.0 . . ?
C9 C10 H10 118.0 . . ?
C10 C9 C8 119.3(7) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C8 C12 117.1(6) . . ?
C9 C8 C7 121.6(6) . . ?
C12 C8 C7 121.3(6) . . ?
C11 C12 C8 119.9(7) . . ?
C11 C12 H12 120.1 . . ?
C8 C12 H12 120.1 . . ?
N2 C11 C12 123.0(7) . . ?
N2 C11 H11 118.5 . . ?
C12 C11 H11 118.5 . . ?
O3 C7 O4 127.7(6) . . ?
O3 C7 C8 116.6(5) . . ?
O4 C7 C8 115.7(6) . . ?
N1 C4 C3 123.4(6) . . ?
N1 C4 H4 118.3 . . ?
C3 C4 H4 118.3 . . ?
C4 C3 C2 118.9(6) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C6 C2 C3 117.8(6) . . ?
C6 C2 C1 120.7(5) . . ?
C3 C2 C1 121.4(5) . . ?
C5 C6 C2 119.4(6) . . ?
C5 C6 H6 120.3 . . ?
C2 C6 H6 120.3 . . ?
N1 C5 C6 123.6(6) . . ?
N1 C5 H5 118.2 . . ?
C6 C5 H5 118.2 . . ?
O2 C1 O1 125.4(6) . . ?
O2 C1 C2 119.2(5) . . ?
O1 C1 C2 115.4(5) . . ?
N4 C22 C21 123.3(7) . . ?
N4 C22 H22 118.4 . . ?
C21 C22 H22 118.4 . . ?
C20 C21 C22 119.5(6) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C24 C20 C21 117.1(6) . . ?
C24 C20 C19 122.6(6) . . ?
C21 C20 C19 120.3(6) . . ?
C20 C24 C23 119.8(6) . . ?
C20 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
N4 C23 C24 123.4(6) . . ?
N4 C23 H23 118.3 . . ?
C24 C23 H23 118.3 . . ?
O8 C19 O7 126.7(6) . . ?
O8 C19 C20 116.2(5) . . ?
O7 C19 C20 117.1(6) . . ?
N3 C16 C15 123.1(6) . . ?
N3 C16 H16 118.4 . . ?
C15 C16 H16 118.4 . . ?
C16 C15 C14 118.7(6) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C18 C14 C15 118.1(5) . . ?
C18 C14 C13 120.4(5) . . ?
C15 C14 C13 121.5(5) . . ?
C17 C18 C14 119.2(6) . . ?
C17 C18 H18 120.4 . . ?
C14 C18 H18 120.4 . . ?
N3 C17 C18 123.4(6) . . ?
N3 C17 H17 118.3 . . ?
C18 C17 H17 118.3 . . ?
O5 C13 O6 125.6(5) . . ?
O5 C13 C14 116.7(5) . . ?
O6 C13 C14 117.6(5) . . ?
C11 N2 C10 116.7(6) . . ?
C11 N2 Ag1 120.5(5) . . ?
C10 N2 Ag1 122.7(5) . . ?
C5 N1 C4 116.8(6) . . ?
C5 N1 Ag1 123.0(5) . . ?
C4 N1 Ag1 120.2(5) . . ?
C23 N4 C22 116.9(6) . . ?
C23 N4 Ag2 119.7(5) . . ?
C22 N4 Ag2 123.1(5) . . ?
C17 N3 C16 117.4(6) . . ?
C17 N3 Ag2 120.8(5) . . ?
C16 N3 Ag2 121.7(4) . . ?
O10 N5 O9 123.6(11) . . ?
O10 N5 O11 117.3(9) . . ?
O9 N5 O11 119.1(9) . . ?
C1 O1 Sm1 167.0(5) . . ?
C13 O6 Sm1 151.6(5) . 2_776 ?
C13 O5 Sm1 143.6(4) . . ?
Sm1 O12 H12A 121(6) . . ?
Sm1 O12 H12B 107(6) . . ?
H12A O12 H12B 109(3) . . ?
Sm1 O15 H15A 124(5) . . ?
Sm1 O15 H15B 123(5) . . ?
H15A O15 H15B 109(3) . . ?
Sm1 O13 H13A 123(5) . . ?
Sm1 O13 H13B 121(5) . . ?
H13A O13 H13B 108(3) . . ?
Sm1 O16 H16A 121(5) . . ?
Sm1 O16 H16B 116(5) . . ?
H16A O16 H16B 108(3) . . ?
Sm1 O14 H14A 122(5) . . ?
Sm1 O14 H14B 120(5) . . ?
H14A O14 H14B 112(3) . . ?
H1WA O1W H1WB 112(3) . . ?
H2WA O2W H2WB 108(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sm1 O1 2.289(4) . ?
Sm1 O5 2.360(4) . ?
Sm1 O6 2.367(4) 2_776 ?
Sm1 O15 2.389(4) . ?
Sm1 O16 2.434(4) . ?
Sm1 O13 2.464(5) . ?
Sm1 O12 2.484(5) . ?
Sm1 O14 2.492(4) . ?
Ag2 N3 2.130(5) . ?
Ag2 N4 2.138(5) . ?
Ag1 N1 2.138(5) . ?
Ag1 N2 2.145(5) . ?
Ag1 Ag1 3.3086(16) 2_765 ?
C10 N2 1.337(10) . ?
C10 C9 1.366(10) . ?
C10 H10 0.9300 . ?
C9 C8 1.383(10) . ?
C9 H9 0.9300 . ?
C8 C12 1.385(9) . ?
C8 C7 1.529(8) . ?
C12 C11 1.375(9) . ?
C12 H12 0.9300 . ?
C11 N2 1.333(10) . ?
C11 H11 0.9300 . ?
C7 O3 1.235(8) . ?
C7 O4 1.237(7) . ?
C4 N1 1.344(9) . ?
C4 C3 1.374(10) . ?
C4 H4 0.9300 . ?
C3 C2 1.387(8) . ?
C3 H3 0.9300 . ?
C2 C6 1.380(8) . ?
C2 C1 1.509(8) . ?
C6 C5 1.372(9) . ?
C6 H6 0.9300 . ?
C5 N1 1.332(9) . ?
C5 H5 0.9300 . ?
C1 O2 1.214(7) . ?
C1 O1 1.256(7) . ?
C22 N4 1.325(10) . ?
C22 C21 1.384(10) . ?
C22 H22 0.9300 . ?
C21 C20 1.375(9) . ?
C21 H21 0.9300 . ?
C20 C24 1.373(9) . ?
C20 C19 1.530(8) . ?
C24 C23 1.378(9) . ?
C24 H24 0.9300 . ?
C23 N4 1.323(9) . ?
C23 H23 0.9300 . ?
C19 O8 1.240(7) . ?
C19 O7 1.244(8) . ?
C16 N3 1.344(9) . ?
C16 C15 1.374(9) . ?
C16 H16 0.9300 . ?
C15 C14 1.392(8) . ?
C15 H15 0.9300 . ?
C14 C18 1.382(8) . ?
C14 C13 1.510(7) . ?
C18 C17 1.371(9) . ?
C18 H18 0.9300 . ?
C17 N3 1.327(9) . ?
C17 H17 0.9300 . ?
C13 O5 1.243(6) . ?
C13 O6 1.245(7) . ?
N5 O10 1.191(10) . ?
N5 O9 1.217(9) . ?
N5 O11 1.261(11) . ?
O6 Sm1 2.367(4) 2_776 ?
O12 H12A 0.84(2) . ?
O12 H12B 0.86(2) . ?
O15 H15A 0.85(2) . ?
O15 H15B 0.86(2) . ?
O13 H13A 0.85(2) . ?
O13 H13B 0.87(2) . ?
O16 H16A 0.86(2) . ?
O16 H16B 0.86(2) . ?
O14 H14A 0.84(2) . ?
O14 H14B 0.84(2) . ?
O1w H1WA 0.85(2) . ?
O1W H1WB 0.83(2) . ?
O2W H2WA 0.86(2) . ?
O2W H2WB 0.86(2) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C10 C9 C8 -0.9(14) . . . . ?
C10 C9 C8 C12 2.4(12) . . . . ?
C10 C9 C8 C7 -179.7(7) . . . . ?
C9 C8 C12 C11 -1.3(11) . . . . ?
C7 C8 C12 C11 -179.3(7) . . . . ?
C8 C12 C11 N2 -1.4(13) . . . . ?
C9 C8 C7 O3 177.2(7) . . . . ?
C12 C8 C7 O3 -5.0(10) . . . . ?
C9 C8 C7 O4 -1.8(10) . . . . ?
C12 C8 C7 O4 176.0(7) . . . . ?
N1 C4 C3 C2 0.4(12) . . . . ?
C4 C3 C2 C6 1.3(11) . . . . ?
C4 C3 C2 C1 -176.5(7) . . . . ?
C3 C2 C6 C5 -1.8(10) . . . . ?
C1 C2 C6 C5 175.9(6) . . . . ?
C2 C6 C5 N1 0.8(11) . . . . ?
C6 C2 C1 O2 15.3(10) . . . . ?
C3 C2 C1 O2 -167.1(7) . . . . ?
C6 C2 C1 O1 -164.7(6) . . . . ?
C3 C2 C1 O1 13.0(9) . . . . ?
N4 C22 C21 C20 -0.1(15) . . . . ?
C22 C21 C20 C24 1.3(12) . . . . ?
C22 C21 C20 C19 -180.0(8) . . . . ?
C21 C20 C24 C23 -1.4(12) . . . . ?
C19 C20 C24 C23 179.9(7) . . . . ?
C20 C24 C23 N4 0.4(14) . . . . ?
C24 C20 C19 O8 -171.9(7) . . . . ?
C21 C20 C19 O8 9.4(10) . . . . ?
C24 C20 C19 O7 6.8(10) . . . . ?
C21 C20 C19 O7 -171.9(7) . . . . ?
N3 C16 C15 C14 0.4(12) . . . . ?
C16 C15 C14 C18 -0.1(10) . . . . ?
C16 C15 C14 C13 177.9(6) . . . . ?
C15 C14 C18 C17 -0.6(10) . . . . ?
C13 C14 C18 C17 -178.6(7) . . . . ?
C14 C18 C17 N3 1.1(12) . . . . ?
C18 C14 C13 O5 -0.8(9) . . . . ?
C15 C14 C13 O5 -178.8(6) . . . . ?
C18 C14 C13 O6 -179.8(6) . . . . ?
C15 C14 C13 O6 2.2(9) . . . . ?
C12 C11 N2 C10 2.9(12) . . . . ?
C12 C11 N2 Ag1 178.3(6) . . . . ?
C9 C10 N2 C11 -1.7(13) . . . . ?
C9 C10 N2 Ag1 -177.0(7) . . . . ?
N1 Ag1 N2 C11 159.1(11) . . . . ?
Ag1 Ag1 N2 C11 -81.3(6) 2_765 . . . ?
N1 Ag1 N2 C10 -25.8(17) . . . . ?
Ag1 Ag1 N2 C10 93.8(7) 2_765 . . . ?
C6 C5 N1 C4 0.8(11) . . . . ?
C6 C5 N1 Ag1 -177.5(6) . . . . ?
C3 C4 N1 C5 -1.4(11) . . . . ?
C3 C4 N1 Ag1 177.0(6) . . . . ?
N2 Ag1 N1 C5 -156.0(11) . . . . ?
Ag1 Ag1 N1 C5 84.3(6) 2_765 . . . ?
N2 Ag1 N1 C4 25.8(16) . . . . ?
Ag1 Ag1 N1 C4 -94.0(6) 2_765 . . . ?
C24 C23 N4 C22 0.8(13) . . . . ?
C24 C23 N4 Ag2 174.8(7) . . . . ?
C21 C22 N4 C23 -0.9(14) . . . . ?
C21 C22 N4 Ag2 -174.7(7) . . . . ?
N3 Ag2 N4 C23 57.0(16) . . . . ?
N3 Ag2 N4 C22 -129.4(13) . . . . ?
C18 C17 N3 C16 -0.8(12) . . . . ?
C18 C17 N3 Ag2 179.1(6) . . . . ?
C15 C16 N3 C17 0.1(12) . . . . ?
C15 C16 N3 Ag2 -179.9(6) . . . . ?
N4 Ag2 N3 C17 -55.0(16) . . . . ?
N4 Ag2 N3 C16 124.9(13) . . . . ?
O2 C1 O1 Sm1 37(3) . . . . ?
C2 C1 O1 Sm1 -142.8(19) . . . . ?
O5 Sm1 O1 C1 150(2) . . . . ?
O6 Sm1 O1 C1 42(2) 2_776 . . . ?
O15 Sm1 O1 C1 -65(2) . . . . ?
O16 Sm1 O1 C1 5(2) . . . . ?
O13 Sm1 O1 C1 -139(2) . . . . ?
O12 Sm1 O1 C1 79(2) . . . . ?
O14 Sm1 O1 C1 -135(2) . . . . ?
O5 C13 O6 Sm1 86.3(10) . . . 2_776 ?
C14 C13 O6 Sm1 -94.8(8) . . . 2_776 ?
O6 C13 O5 Sm1 -10.6(12) . . . . ?
C14 C13 O5 Sm1 170.5(5) . . . . ?
O1 Sm1 O5 C13 -165.3(7) . . . . ?
O6 Sm1 O5 C13 -19.4(7) 2_776 . . . ?
O15 Sm1 O5 C13 94.4(8) . . . . ?
O16 Sm1 O5 C13 -83.7(8) . . . . ?
O13 Sm1 O5 C13 128.2(7) . . . . ?
O12 Sm1 O5 C13 -93.3(7) . . . . ?
O14 Sm1 O5 C13 51.5(7) . . . . ?
